Physics – Condensed Matter – Materials Science
Scientific paper
2007-02-18
Nano Lett. 8, 1011 (2008)
Physics
Condensed Matter
Materials Science
4+ pages, 2 figures. Improved and extended database of values
Scientific paper
10.1021/nl072667q
Hyperfine interactions, magnetic interactions between the spins of electrons and nuclei, in graphene and related carbon nanostructures are studied. By using a combination of accurate first principles calculations on graphene fragments and statistical analysis, I show that both isotropic and dipolar hyperfine interactions can be accurately described in terms of the local electron spin distribution and atomic structure. A complete set of parameters describing the hyperfine interactions of C-13 and other nuclear spins at substitution impurities and edge terminations is determined.
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